bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate

C14H22N2O6 — CID 66662905

IUPACbis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCC1CNCCO1)OCC1CNCCO1
InChIInChI=1S/C14H22N2O6/c17-13(21-9-11-7-15-3-5-19-11)1-2-14(18)22-10-12-8-16-4-6-20-12/h1-2,11-12,15-16H,3-10H2/b2-1-
InChIKeyCMFASFXMFPVYAP-UPHRSURJSA-N
MW314.34 g/mol
LogP-1.39
Rot. Bonds6

About bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate

bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate (PubChem CID 66662905) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
PubChem CID66662905
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Namebis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCC1CNCCO1)OCC1CNCCO1
InChIInChI=1S/C14H22N2O6/c17-13(21-9-11-7-15-3-5-19-11)1-2-14(18)22-10-12-8-16-4-6-20-12/h1-2,11-12,15-16H,3-10H2/b2-1-
InChIKeyCMFASFXMFPVYAP-UPHRSURJSA-N
XLogP-1.39
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

morpholin-2-ylmethyl N,N-dimethylcarbamate
CID 114469366
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235
morpholin-2-ylmethyl N-(oxolan-3-yl)carbamate
CID 114469375
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
(2S)-2-(methoxymethyl)morpholine
CID 10103206
1-O-ethyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
CID 6433943
cyclopropylmethyl 2-morpholin-2-ylacetate
CID 66434430
2-(methoxymethyl)morpholine;hydrochloride
CID 19777233
1-(morpholin-2-ylmethoxy)ethanol;oxalic acid
CID 159817068
4-oxo-4-(oxolan-2-ylmethoxy)but-2-enoic acid
CID 2827336
morpholin-2-ylmethyl N-benzylcarbamate
CID 107654723
2-morpholin-2-ylacetohydrazide
CID 66428542

Frequently Asked Questions

What is the IUPAC name of bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate?
The IUPAC name of bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate (CID 66662905) is bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate is O=C(/C=C\C(=O)OCC1CNCCO1)OCC1CNCCO1.
What is the InChIKey of bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate?
The InChIKey is CMFASFXMFPVYAP-UPHRSURJSA-N. The full InChI is InChI=1S/C14H22N2O6/c17-13(21-9-11-7-15-3-5-19-11)1-2-14(18)22-10-12-8-16-4-6-20-12/h1-2,11-12,15-16H,3-10H2/b2-1-.
What are the key properties of bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate?
bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate has a molecular weight of 314.34 g/mol, XLogP of -1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate is sourced from PubChem (CID 66662905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).